Flavors and fragrances
Flavors and fragrances traditionally depend on essential oils drawn from naturally occurring substances, such as camphor oil, obtained by steaming the wood of the camphor tree, or saffron from the flower of the Crocus sativa. As such, they are often subject to supply and demand and affected by weather and other natural events.
Synthetic substitutes have been developed for many flavors and fragrances that retain the same odor and flavor characteristics as the natural compound. Cresset software assists in the design, discovery and optimization process by giving you insight into the biological activity of compounds. Our software helps you predict the impact of structural changes on fragrance, flavor, and off-target activity.
Your starting point may be an existing natural or synthetic compound, or a taste or odor receptor. Our software analyzes the 3D physico-chemical properties of molecules resulting in a quantitative representation of way a compound will interact at a target site.
The following structures are different versions of the chiral drug Galaxolide, a polycyclic synthetic musk, analyzed in Torch. The field patterns show a marked similarity between the two chiral forms with a weak musk odor (top) and the two forms with a strong musk odor (below).
Ref: G. Frater, U. Mueller & P. Kraft, Helv. Chim. Acta, 82(10), 1656-1665 (1999).
Galaxolide® is a registered trademark of International Flavors & Fragrances.
Structures and odour data from Leffingwell.